2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione

C15H10N2O4 — CID 135401392

IUPAC2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C15H10N2O4/c18-12-6-5-9(7-13(12)19)8-16-17-14(20)10-3-1-2-4-11(10)15(17)21/h1-8,18-19H/b16-8+
InChIKeyUSSATTYXZDPCRA-LZYBPNLTSA-N
MW282.26 g/mol
LogP1.73
Rot. Bonds2

About 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 135401392) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID135401392
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C15H10N2O4/c18-12-6-5-9(7-13(12)19)8-16-17-14(20)10-3-1-2-4-11(10)15(17)21/h1-8,18-19H/b16-8+
InChIKeyUSSATTYXZDPCRA-LZYBPNLTSA-N
XLogP1.73
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(Veratrylideneamino)-phthalimide
CID 6861638
2-{[(1E)-(3,4-dihydroxyphenyl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3-dione
CID 135497935
(6E)-6-[[(1,3-dihydroxyisoindol-2-yl)amino]methylidene]cyclohex-4-ene-1,2,3-trione
CID 135676063
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135448416
N-[(3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 336730
N'-[(E)-(3,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135458705
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135540889
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135540892
2-[(E)-(4-fluorophenyl)methyleneamino]-6,7-dihydroxy-isoindolin-1-one
CID 24773961
2-[(E)-(2,3-dihydroxyphenyl)methyleneamino]-6,7-dihydroxy-isoindolin-1-one
CID 135823110
2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 736699
2-[(E)-(3,4-dihydroxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 135871509

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione (CID 135401392) is 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is USSATTYXZDPCRA-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-12-6-5-9(7-13(12)19)8-16-17-14(20)10-3-1-2-4-11(10)15(17)21/h1-8,18-19H/b16-8+.
What are the key properties of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 282.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135401392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).